1-[4-(hydroxymethyl)-2-pyridinyl]-3-phenylurea

C13H13N3O2 — CID 82343536

IUPAC1-[4-(hydroxymethyl)-2-pyridinyl]-3-phenylurea
SMILESO=C(Nc1ccccc1)Nc1cc(CO)ccn1
InChIInChI=1S/C13H13N3O2/c17-9-10-6-7-14-12(8-10)16-13(18)15-11-4-2-1-3-5-11/h1-8,17H,9H2,(H2,14,15,16,18)
InChIKeyWKNZPZJOVOSLJR-UHFFFAOYSA-N
MW243.27 g/mol
LogP2.22
Rot. Bonds3

About 1-[4-(hydroxymethyl)-2-pyridinyl]-3-phenylurea

1-[4-(hydroxymethyl)-2-pyridinyl]-3-phenylurea (PubChem CID 82343536) has the molecular formula C13H13N3O2 and a molecular weight of 243.27 g/mol. Its IUPAC name is 1-[4-(hydroxymethyl)-2-pyridinyl]-3-phenylurea.

Molecular Properties

Compound Name1-[4-(hydroxymethyl)-2-pyridinyl]-3-phenylurea
PubChem CID82343536
Molecular FormulaC13H13N3O2
Molecular Weight243.27 g/mol
Exact Mass243.10
IUPAC Name1-[4-(hydroxymethyl)-2-pyridinyl]-3-phenylurea
SMILESO=C(Nc1ccccc1)Nc1cc(CO)ccn1
InChIInChI=1S/C13H13N3O2/c17-9-10-6-7-14-12(8-10)16-13(18)15-11-4-2-1-3-5-11/h1-8,17H,9H2,(H2,14,15,16,18)
InChIKeyWKNZPZJOVOSLJR-UHFFFAOYSA-N
XLogP2.22
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(hydroxymethyl)-2-pyridinyl]-2-methoxyacetamide
CID 82343554
4-chloro-N-[4-(hydroxymethyl)-2-pyridinyl]benzamide
CID 82343541
1-[4-(2-anilino-4-pyridinyl)-2-pyridinyl]-3-(4-fluorophenyl)urea
CID 67062221
(2-hydrazinyl-4-pyridinyl)methanol
CID 59843154
1-[4-(2-anilino-4-pyridinyl)-2-pyridinyl]-3-(4-methoxyphenyl)urea
CID 67062321
1-[4-(2-anilino-4-pyridinyl)-2-pyridinyl]-3-(4-nitrophenyl)urea
CID 67062216
1-[4-(2-anilino-4-pyridinyl)-2-pyridinyl]-3-thiophen-3-ylurea
CID 10068802
1-(4-ethylphenyl)-3-pyridin-2-ylurea
CID 6469550
[4-(aminomethyl)-2-pyridinyl]carbamic acid
CID 154255839
1-(4-aminophenyl)-3-[3-(hydroxymethyl)phenyl]urea
CID 57445000
1-[(4-bromo-2-pyridinyl)amino]-3-phenylurea
CID 170994303
N-[4-[[3-[(phenylcarbamoylamino)carbamoyl]-2-pyridinyl]sulfanylmethyl]-2-pyridinyl]acetamide
CID 59152531

Frequently Asked Questions

What is the IUPAC name of 1-[4-(hydroxymethyl)-2-pyridinyl]-3-phenylurea?
The IUPAC name of 1-[4-(hydroxymethyl)-2-pyridinyl]-3-phenylurea (CID 82343536) is 1-[4-(hydroxymethyl)-2-pyridinyl]-3-phenylurea.
What is the SMILES notation for 1-[4-(hydroxymethyl)-2-pyridinyl]-3-phenylurea?
The canonical SMILES for 1-[4-(hydroxymethyl)-2-pyridinyl]-3-phenylurea is O=C(Nc1ccccc1)Nc1cc(CO)ccn1.
What is the InChIKey of 1-[4-(hydroxymethyl)-2-pyridinyl]-3-phenylurea?
The InChIKey is WKNZPZJOVOSLJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2/c17-9-10-6-7-14-12(8-10)16-13(18)15-11-4-2-1-3-5-11/h1-8,17H,9H2,(H2,14,15,16,18).
What are the key properties of 1-[4-(hydroxymethyl)-2-pyridinyl]-3-phenylurea?
1-[4-(hydroxymethyl)-2-pyridinyl]-3-phenylurea has a molecular weight of 243.27 g/mol, XLogP of 2.22, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(hydroxymethyl)-2-pyridinyl]-3-phenylurea is sourced from PubChem (CID 82343536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).